2-(3-octadecoxypropoxy)-1-pentyl-pyridin-1-ium

Systemtic Name: 2-(3-octadecoxypropoxy)-1-pentyl-pyridin-1-ium Openeye Name: 2-(3-octadecoxypropoxy)-1-pentyl-pyridin-1-ium CAS Name: 2-(3-octadecoxypropoxy)-1-pentylpyridin-1-ium IUPAC Name: 2-(3-octadecoxypropoxy)-1-pentylpyridin-1-ium Traditional Name: 1-amyl-2-(3-stearyloxypropoxy)pyridin-1-ium Formula: C31H58NO2+ MolecularWeight: 476.79772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOC1=CC=CC=[N+]1CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOC1=CC=CC=[N+]1CCCCC

InChI

InChI=1S/C31H58NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-33-29-24-30-34-31-25-20-22-27-32(31)26-21-6-4-2/h20,22,25,27H,3-19,21,23-24,26,28-30H2,1-2H3/q+1